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Information card for entry 7718874
Preview
| Coordinates | 7718874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47.5 H47 Cl4 N2 O2 P2 Re |
|---|---|
| Calculated formula | C46 H44 Cl N2 O2 P2 Re |
| Title of publication | Efficient hydrogenation of ketones and aldehydes catalysed by a well-defined PNNP-rhenium complex |
| Authors of publication | Xu, Shuting; Zhang, ZhangYu; Li, Bin; Li, Hao; Huang, Jing; Chen, Yiyu; Hu, Kun; Zhang, Feng-Jun; Fang, Xiaolong |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 13.0948 ± 0.0002 Å |
| b | 20.8238 ± 0.0005 Å |
| c | 32.3858 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8831.1 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300063 (current) | 2025-06-13 | cif/ Adding structures of 7718872, 7718873, 7718874 via cif-deposit CGI script. |
7718874.cif |
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Users of the data should acknowledge the original authors of the
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